Information card for entry 7027015

Structure parameters

• Formula: C20 H21 Mn N2 O9
• Calculated formula: C20 H25 Mn N2 O9
• SMILES: [Mn]123(Oc4c(OC)cccc4C=[N]2CC[N]3=Cc2cccc(OC)c2O1)(OC(=O)C)[OH2].O.O
• Title of publication: Further attempts to rationalise the co-ordination chemistry of manganese with Schiff base ligands and supplementary carboxylate donors
• Authors of publication: Watkinson, Michael; Fondo, Matilde; Bermejo, Manuel R.; Sousa, Antonio; McAuliffe, Charles A.; Pritchard, Robin G.; Jaiboon, Nongnuj; Aurangzeb, Nadeem; Naeem, Mohammed
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 1
• Pages of publication: 31
• a: 12.053 ± 0.002 Å
• b: 19.874 ± 0.004 Å
• c: 9.312 ± 0.002 Å
• α: 90°
• β: 99.97 ± 0.02°
• γ: 90°
• Cell volume: 2196.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections: 0.1186
• Weighted residual factors for significantly intense reflections: 0.1186
• Goodness-of-fit parameter for all reflections: 1.093
• Goodness-of-fit parameter for significantly intense reflections: 1.093
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No